3-oxidanyl-6-[(4-sulfophenyl)amino]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonic acid

Systemtic Name: 3-oxidanyl-6-[(4-sulfophenyl)amino]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonic acid Openeye Name: 3-hydroxy-6-(4-sulfoanilino)-1,4,4a,8a-tetrahydronaphthalene-2-sulfonic acid CAS Name: 3-hydroxy-6-(4-sulfoanilino)-1,4,4a,8a-tetrahydronaphthalene-2-sulfonic acid IUPAC Name: 3-hydroxy-6-(4-sulfoanilino)-1,4,4a,8a-tetrahydronaphthalene-2-sulfonic acid Traditional Name: 3-hydroxy-6-(4-sulfoanilino)-1,4,4a,8a-tetrahydronaphthalene-2-sulfonic acid Formula: C16H17NO7S2 MolecularWeight: 399.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(=CC2CC(=C1S(=O)(=O)O)O)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1C2C=CC(=CC2CC(=C1S(=O)(=O)O)O)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H17NO7S2/c18-15-8-11-7-13(2-1-10(11)9-16(15)26(22,23)24)17-12-3-5-14(6-4-12)25(19,20)21/h1-7,10-11,17-18H,8-9H2,(H,19,20,21)(H,22,23,24)