4-dictoxy-4-oxidanylidene-3-sulfo-butanoate; 4-(3-ethyloctan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-dictoxy-4-oxidanylidene-3-sulfo-butanoate; 4-(3-ethyloctan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-dictoxy-4-oxo-3-sulfo-butanoate; 4-(1,1-diethylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-dictoxy-4-oxo-3-sulfobutanoate; 4-(3-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoate IUPAC Name: 4-dictoxy-4-oxo-3-sulfobutanoate; 4-(3-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoate Traditional Name: 4-dictoxy-4-keto-3-sulfo-butyrate; 4-(1,1-diethylhexoxy)-4-keto-3-sulfo-butyrate Formula: C218H430O14S2-2 MolecularWeight: 3339.8684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.CCCCCC(CC)(CC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.CCCCCC(CC)(CC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C204H406O7S.C14H26O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86-87-88-89-90-91-92-93-94-95-96-97-98-99-100-101-102-103-104-105-106-107-108-109-110-111-112-113-114-115-116-117-118-119-120-121-122-123-124-125-126-127-128-129-130-131-132-133-134-135-136-137-138-139-140-141-142-143-144-145-146-147-148-149-150-151-152-153-154-155-156-157-158-159-160-161-162-163-164-165-166-167-168-169-170-171-172-173-174-175-176-177-178-179-180-181-182-183-184-185-186-187-188-189-190-191-192-193-194-195-196-197-198-199-200-211-204(207)202(201-203(205)206)212(208,209)210;1-4-7-8-9-14(5-2,6-3)21-13(17)11(10-12(15)16)22(18,19)20/h202H,2-201H2,1H3,(H,205,206)(H,208,209,210);11H,4-10H2,1-3H3,(H,15,16)(H,18,19,20)/p-2