4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-[2-(phenylsulfonyl)prop-2-enyl]piperidin-4-ol

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-[2-(phenylsulfonyl)prop-2-enyl]piperidin-4-ol Openeye Name: 1-[2-(benzenesulfonyl)allyl]piperidin-4-ol; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 1-[2-(benzenesulfonyl)prop-2-enyl]-4-piperidinol; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 1-[2-(benzenesulfonyl)prop-2-enyl]piperidin-4-ol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 1-(2-besylallyl)piperidin-4-ol; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C37H35NO9S MolecularWeight: 669.7401

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCC(CC1)O)S(=O)(=O)C2=CC=CC=C2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C=C(CN1CCC(CC1)O)S(=O)(=O)C2=CC=CC=C2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C14H19NO3S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-12(11-15-9-7-13(16)8-10-15)19(17,18)14-5-3-2-4-6-14/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-6,13,16H,1,7-11H2