1,8-bis(4-dimethylaminophenyl)-3-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid

Systemtic Name: 1,8-bis(4-dimethylaminophenyl)-3-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid Openeye Name: 1,8-bis(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid CAS Name: 1,8-bis(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid IUPAC Name: 1,8-bis(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid Traditional Name: 1,8-bis(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid Formula: C26H30N2O7S2 MolecularWeight: 546.6556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3C(CC(=C2S(=O)(=O)O)O)C=C(C=C3C4=CC=C(C=C4)N(C)C)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C3C(CC(=C2S(=O)(=O)O)O)C=C(C=C3C4=CC=C(C=C4)N(C)C)S(=O)(=O)O

InChI

InChI=1S/C26H30N2O7S2/c1-27(2)19-9-5-16(6-10-19)22-15-21(36(30,31)32)13-18-14-23(29)26(37(33,34)35)25(24(18)22)17-7-11-20(12-8-17)28(3)4/h5-13,15,18,24-25,29H,14H2,1-4H3,(H,30,31,32)(H,33,34,35)